General Information of the Compound
| Compound ID |
CP0475167
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| Compound Name |
4-[(1S,7aR)-1-hydroxy-7-methyl-5-oxo-2,3,5,7a-tetrahydro-1H-pyrrolizin-6-yl]-2-chloro-3-methylbenzonitrile
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| Structure |
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| Formula |
C16H15ClN2O2
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| Molecular Weight |
302.761
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| Canonical SMILES |
CC1=C(C(=O)N2CC[C@H](O)[C@@H]12)c1ccc(C#N)c(Cl)c1C
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| InChI |
InChI=1S/C16H15ClN2O2/c1-8-11(4-3-10(7-18)14(8)17)13-9(2)15-12(20)5-6-19(15)16(13)21/h3-4,12,15,20H,5-6H2,1-2H3/t12-,15+/m0/s1
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| InChIKey |
NEHDVDXRTNOXMK-SWLSCSKDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound